Information card for entry 7002950

Structure parameters

• Formula: C10 H14 Co N4 O6 S4
• Calculated formula: C31 H30 I N3 O2 S2
• Title of publication: A thiazoline-containing cobalt(II) complex based colorimetric fluorescent probe: “turn-on” detection of fluoride
• Authors of publication: Wang, Jing; Liu, Hai-Bo; Wang, Wei; Kim, Il; Ha, Chang-Sik
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10422 - 10425
• a: 9.5132 ± 0.0017 Å
• b: 17.434 ± 0.003 Å
• c: 10.991 ± 0.002 Å
• α: 90°
• β: 91.767 ± 0.003°
• γ: 90°
• Cell volume: 1822 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No